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14 molecules are shown

Wt: 465.6
BDBM17947
Wt: 493.6
BDBM17948
Wt: 495.6
BDBM50298188
Wt: 495.6
BDBM50298191
Wt: 479.6
BDBM50298196
Wt: 493.6
BDBM50298197
Wt: 544.5
BDBM50298198
Wt: 489.6
BDBM50298199
Wt: 481.6
BDBM50298203
Wt: 512.6
BDBM50330342
Wt: 632.8
BDBM50330360
Wt: 493.6
BDBM50345193
Wt: 641.8
BDBM50348992
Wt: 671.9
BDBM50348993

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 32 hits for monomerid = 17947,17948,50298188,50298191,50298196,50298197,50298198,50298199,50298203,50330342,50330360,50345193,50348992,50348993   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Renin


(Homo sapiens (human))
BDBM17947
PNG
((2R,4S,5S,7R)-5-amino-N-butyl-4-hydroxy-8-{[2-(3-m...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@@H](C)CNC(=O)c1ccccc1OCCCOC
Show InChI InChI=1S/C25H43N3O5/c1-5-6-12-27-24(30)19(3)16-22(29)21(26)15-18(2)17-28-25(31)20-10-7-8-11-23(20)33-14-9-13-32-4/h7-8,10-11,18-19,21-22,29H,5-6,9,12-17,26H2,1-4H3,(H,27,30)(H,28,31)/t18-,19-,21+,22+/m1/s1
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n/an/a 22n/an/an/an/a7.237



Novartis Pharmaceuticals



Assay Description
In vitro potencies of compounds against purified human recombinant renin were determined by its cleavage of substrate angiotensinogen. The angiotensi...


Chem Biol 7: 493-504 (2000)


Article DOI: 10.1016/S1074-5521(00)00134-4
BindingDB Entry DOI: 10.7270/Q2V40SGJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Renin


(Homo sapiens (human))
BDBM50348993
PNG
(CHEMBL1807378)
Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)CNC(=O)c2ccc(OC)cc2)C(C)C)ccc1OC
Show InChI InChI=1S/C38H61N3O7/c1-25(2)29(19-27-11-16-34(47-9)35(20-27)48-18-10-17-45-7)21-32(39)33(42)22-31(26(3)4)37(44)41-24-38(5,6)23-40-36(43)28-12-14-30(46-8)15-13-28/h11-16,20,25-26,29,31-33,42H,10,17-19,21-24,39H2,1-9H3,(H,40,43)(H,41,44)/t29-,31-,32-,33-/m0/s1
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n/an/a 3.84n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of renin measured every 30 secs for 15 mins by fluorimetric analysis


Bioorg Med Chem 19: 4238-49 (2011)


Article DOI: 10.1016/j.bmc.2011.05.059
BindingDB Entry DOI: 10.7270/Q2HH6KD4
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Pepsin A


(Porcine)
BDBM17947
PNG
((2R,4S,5S,7R)-5-amino-N-butyl-4-hydroxy-8-{[2-(3-m...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@@H](C)CNC(=O)c1ccccc1OCCCOC
Show InChI InChI=1S/C25H43N3O5/c1-5-6-12-27-24(30)19(3)16-22(29)21(26)15-18(2)17-28-25(31)20-10-7-8-11-23(20)33-14-9-13-32-4/h7-8,10-11,18-19,21-22,29H,5-6,9,12-17,26H2,1-4H3,(H,27,30)(H,28,31)/t18-,19-,21+,22+/m1/s1
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n/an/a>1.00E+5n/an/an/an/a2.037



Novartis Pharmaceuticals



Assay Description
In vitro potencies of compounds against purified porcine pepsin were determined by its cleavage of substrate hemoglobin. After incubation, proteins w...


Chem Biol 7: 493-504 (2000)


Article DOI: 10.1016/S1074-5521(00)00134-4
BindingDB Entry DOI: 10.7270/Q2V40SGJ
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM17948
PNG
((2R,4S,5S,7S)-5-amino-N-butyl-4-hydroxy-7-({[2-(3-...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](CNC(=O)c1ccccc1OCCCOC)C(C)C
Show InChI InChI=1S/C27H47N3O5/c1-6-7-13-29-26(32)20(4)16-24(31)23(28)17-21(19(2)3)18-30-27(33)22-11-8-9-12-25(22)35-15-10-14-34-5/h8-9,11-12,19-21,23-24,31H,6-7,10,13-18,28H2,1-5H3,(H,29,32)(H,30,33)/t20-,21-,23+,24+/m1/s1
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n/an/a>1.00E+5n/an/an/an/a2.037



Novartis Pharmaceuticals



Assay Description
In vitro potencies of compounds against purified porcine pepsin were determined by its cleavage of substrate hemoglobin. After incubation, proteins w...


Chem Biol 7: 493-504 (2000)


Article DOI: 10.1016/S1074-5521(00)00134-4
BindingDB Entry DOI: 10.7270/Q2V40SGJ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50298188
PNG
(CHEMBL560682 | N-((2S,3S,5R)-6-(butylamino)-3-hydr...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CNC(C)C)NC(=O)c1ccc(OC)c(OCCCOC)c1
Show InChI InChI=1S/C26H45N3O6/c1-7-8-12-27-25(31)19(4)15-22(30)21(17-28-18(2)3)29-26(32)20-10-11-23(34-6)24(16-20)35-14-9-13-33-5/h10-11,16,18-19,21-22,28,30H,7-9,12-15,17H2,1-6H3,(H,27,31)(H,29,32)/t19-,21+,22+/m1/s1
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n/an/a 670n/an/an/an/an/an/a



Nagasaki International University

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant human renin


Bioorg Med Chem Lett 19: 4863-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (human))
BDBM50298191
PNG
(CHEMBL557063 | N-((2S,3S,5R)-2-amino-6-(butylamino...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)C(=O)c1ccc(OC)c(OCCCOC)c1
Show InChI InChI=1S/C26H45N3O6/c1-7-8-12-28-25(31)19(4)15-22(30)21(27)17-29(18(2)3)26(32)20-10-11-23(34-6)24(16-20)35-14-9-13-33-5/h10-11,16,18-19,21-22,30H,7-9,12-15,17,27H2,1-6H3,(H,28,31)/t19-,21+,22+/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Nagasaki International University

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant human renin


Bioorg Med Chem Lett 19: 4863-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (human))
BDBM50298191
PNG
(CHEMBL557063 | N-((2S,3S,5R)-2-amino-6-(butylamino...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)C(=O)c1ccc(OC)c(OCCCOC)c1
Show InChI InChI=1S/C26H45N3O6/c1-7-8-12-28-25(31)19(4)15-22(30)21(27)17-29(18(2)3)26(32)20-10-11-23(34-6)24(16-20)35-14-9-13-33-5/h10-11,16,18-19,21-22,30H,7-9,12-15,17,27H2,1-6H3,(H,28,31)/t19-,21+,22+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Nagasaki International University

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin


Bioorg Med Chem Lett 19: 4863-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (human))
BDBM50298196
PNG
(CHEMBL562605 | N-((2S,3S,5R)-2-amino-6-(butylamino...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)C(=O)c1ccc(C)c(OCCCOC)c1
Show InChI InChI=1S/C26H45N3O5/c1-7-8-12-28-25(31)20(5)15-23(30)22(27)17-29(18(2)3)26(32)21-11-10-19(4)24(16-21)34-14-9-13-33-6/h10-11,16,18,20,22-23,30H,7-9,12-15,17,27H2,1-6H3,(H,28,31)/t20-,22+,23+/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Nagasaki International University

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant human renin


Bioorg Med Chem Lett 19: 4863-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (human))
BDBM50298196
PNG
(CHEMBL562605 | N-((2S,3S,5R)-2-amino-6-(butylamino...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)C(=O)c1ccc(C)c(OCCCOC)c1
Show InChI InChI=1S/C26H45N3O5/c1-7-8-12-28-25(31)20(5)15-23(30)22(27)17-29(18(2)3)26(32)21-11-10-19(4)24(16-21)34-14-9-13-33-6/h10-11,16,18,20,22-23,30H,7-9,12-15,17,27H2,1-6H3,(H,28,31)/t20-,22+,23+/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Nagasaki International University

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin


Bioorg Med Chem Lett 19: 4863-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (human))
BDBM50298197
PNG
(CHEMBL550066 | N-((2S,3S,5R)-2-amino-6-(butylamino...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)C(=O)c1ccc(CC)c(OCCCOC)c1
Show InChI InChI=1S/C27H47N3O5/c1-7-9-13-29-26(32)20(5)16-24(31)23(28)18-30(19(3)4)27(33)22-12-11-21(8-2)25(17-22)35-15-10-14-34-6/h11-12,17,19-20,23-24,31H,7-10,13-16,18,28H2,1-6H3,(H,29,32)/t20-,23+,24+/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Nagasaki International University

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant human renin


Bioorg Med Chem Lett 19: 4863-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (human))
BDBM50298197
PNG
(CHEMBL550066 | N-((2S,3S,5R)-2-amino-6-(butylamino...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)C(=O)c1ccc(CC)c(OCCCOC)c1
Show InChI InChI=1S/C27H47N3O5/c1-7-9-13-29-26(32)20(5)16-24(31)23(28)18-30(19(3)4)27(33)22-12-11-21(8-2)25(17-22)35-15-10-14-34-6/h11-12,17,19-20,23-24,31H,7-10,13-16,18,28H2,1-6H3,(H,29,32)/t20-,23+,24+/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Nagasaki International University

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin


Bioorg Med Chem Lett 19: 4863-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (human))
BDBM50298198
PNG
(CHEMBL550673 | N-((2S,3S,5R)-2-amino-6-(butylamino...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)C(=O)c1ccc(Br)c(OCCCOC)c1
Show InChI InChI=1S/C25H42BrN3O5/c1-6-7-11-28-24(31)18(4)14-22(30)21(27)16-29(17(2)3)25(32)19-9-10-20(26)23(15-19)34-13-8-12-33-5/h9-10,15,17-18,21-22,30H,6-8,11-14,16,27H2,1-5H3,(H,28,31)/t18-,21+,22+/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Nagasaki International University

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant human renin


Bioorg Med Chem Lett 19: 4863-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (human))
BDBM50298198
PNG
(CHEMBL550673 | N-((2S,3S,5R)-2-amino-6-(butylamino...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)C(=O)c1ccc(Br)c(OCCCOC)c1
Show InChI InChI=1S/C25H42BrN3O5/c1-6-7-11-28-24(31)18(4)14-22(30)21(27)16-29(17(2)3)25(32)19-9-10-20(26)23(15-19)34-13-8-12-33-5/h9-10,15,17-18,21-22,30H,6-8,11-14,16,27H2,1-5H3,(H,28,31)/t18-,21+,22+/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Nagasaki International University

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin


Bioorg Med Chem Lett 19: 4863-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (human))
BDBM50298199
PNG
(CHEMBL561342 | N-((2S,3S,5R)-2-amino-6-(butylamino...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)C(=O)c1ccc(C#C)c(OCCCOC)c1
Show InChI InChI=1S/C27H43N3O5/c1-7-9-13-29-26(32)20(5)16-24(31)23(28)18-30(19(3)4)27(33)22-12-11-21(8-2)25(17-22)35-15-10-14-34-6/h2,11-12,17,19-20,23-24,31H,7,9-10,13-16,18,28H2,1,3-6H3,(H,29,32)/t20-,23+,24+/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Nagasaki International University

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant human renin


Bioorg Med Chem Lett 19: 4863-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (human))
BDBM50298199
PNG
(CHEMBL561342 | N-((2S,3S,5R)-2-amino-6-(butylamino...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)C(=O)c1ccc(C#C)c(OCCCOC)c1
Show InChI InChI=1S/C27H43N3O5/c1-7-9-13-29-26(32)20(5)16-24(31)23(28)18-30(19(3)4)27(33)22-12-11-21(8-2)25(17-22)35-15-10-14-34-6/h2,11-12,17,19-20,23-24,31H,7,9-10,13-16,18,28H2,1,3-6H3,(H,29,32)/t20-,23+,24+/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Nagasaki International University

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin


Bioorg Med Chem Lett 19: 4863-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (human))
BDBM50298203
PNG
((2R,4S,5S)-5-amino-N-butyl-4-hydroxy-6-(isopropyl(...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(Cc1ccc(OC)c(OCCCOC)c1)C(C)C
Show InChI InChI=1S/C26H47N3O5/c1-7-8-12-28-26(31)20(4)15-23(30)22(27)18-29(19(2)3)17-21-10-11-24(33-6)25(16-21)34-14-9-13-32-5/h10-11,16,19-20,22-23,30H,7-9,12-15,17-18,27H2,1-6H3,(H,28,31)/t20-,22+,23+/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Nagasaki International University

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant human renin


Bioorg Med Chem Lett 19: 4863-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (human))
BDBM50298203
PNG
((2R,4S,5S)-5-amino-N-butyl-4-hydroxy-6-(isopropyl(...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(Cc1ccc(OC)c(OCCCOC)c1)C(C)C
Show InChI InChI=1S/C26H47N3O5/c1-7-8-12-28-26(31)20(4)15-23(30)22(27)18-29(19(2)3)17-21-10-11-24(33-6)25(16-21)34-14-9-13-32-5/h10-11,16,19-20,22-23,30H,7-9,12-15,17-18,27H2,1-6H3,(H,28,31)/t20-,22+,23+/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Nagasaki International University

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin


Bioorg Med Chem Lett 19: 4863-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cathepsin D


(Bos taurus)
BDBM50298191
PNG
(CHEMBL557063 | N-((2S,3S,5R)-2-amino-6-(butylamino...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)C(=O)c1ccc(OC)c(OCCCOC)c1
Show InChI InChI=1S/C26H45N3O6/c1-7-8-12-28-25(31)19(4)15-22(30)21(27)17-29(18(2)3)26(32)20-10-11-23(34-6)24(16-20)35-14-9-13-33-5/h10-11,16,18-19,21-22,30H,7-9,12-15,17,27H2,1-6H3,(H,28,31)/t19-,21+,22+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Nagasaki International University

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin D


Bioorg Med Chem Lett 19: 4863-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50298196
PNG
(CHEMBL562605 | N-((2S,3S,5R)-2-amino-6-(butylamino...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)C(=O)c1ccc(C)c(OCCCOC)c1
Show InChI InChI=1S/C26H45N3O5/c1-7-8-12-28-25(31)20(5)15-23(30)22(27)17-29(18(2)3)26(32)21-11-10-19(4)24(16-21)34-14-9-13-33-6/h10-11,16,18,20,22-23,30H,7-9,12-15,17,27H2,1-6H3,(H,28,31)/t20-,22+,23+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Nagasaki International University

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin D


Bioorg Med Chem Lett 19: 4863-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50298197
PNG
(CHEMBL550066 | N-((2S,3S,5R)-2-amino-6-(butylamino...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)C(=O)c1ccc(CC)c(OCCCOC)c1
Show InChI InChI=1S/C27H47N3O5/c1-7-9-13-29-26(32)20(5)16-24(31)23(28)18-30(19(3)4)27(33)22-12-11-21(8-2)25(17-22)35-15-10-14-34-6/h11-12,17,19-20,23-24,31H,7-10,13-16,18,28H2,1-6H3,(H,29,32)/t20-,23+,24+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Nagasaki International University

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin D


Bioorg Med Chem Lett 19: 4863-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50298198
PNG
(CHEMBL550673 | N-((2S,3S,5R)-2-amino-6-(butylamino...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)C(=O)c1ccc(Br)c(OCCCOC)c1
Show InChI InChI=1S/C25H42BrN3O5/c1-6-7-11-28-24(31)18(4)14-22(30)21(27)16-29(17(2)3)25(32)19-9-10-20(26)23(15-19)34-13-8-12-33-5/h9-10,15,17-18,21-22,30H,6-8,11-14,16,27H2,1-5H3,(H,28,31)/t18-,21+,22+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Nagasaki International University

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin D


Bioorg Med Chem Lett 19: 4863-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50298199
PNG
(CHEMBL561342 | N-((2S,3S,5R)-2-amino-6-(butylamino...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)C(=O)c1ccc(C#C)c(OCCCOC)c1
Show InChI InChI=1S/C27H43N3O5/c1-7-9-13-29-26(32)20(5)16-24(31)23(28)18-30(19(3)4)27(33)22-12-11-21(8-2)25(17-22)35-15-10-14-34-6/h2,11-12,17,19-20,23-24,31H,7,9-10,13-16,18,28H2,1,3-6H3,(H,29,32)/t20-,23+,24+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Nagasaki International University

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin D


Bioorg Med Chem Lett 19: 4863-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50298203
PNG
((2R,4S,5S)-5-amino-N-butyl-4-hydroxy-6-(isopropyl(...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(Cc1ccc(OC)c(OCCCOC)c1)C(C)C
Show InChI InChI=1S/C26H47N3O5/c1-7-8-12-28-26(31)20(4)15-23(30)22(27)18-29(19(2)3)17-21-10-11-24(33-6)25(16-21)34-14-9-13-32-5/h10-11,16,19-20,22-23,30H,7-9,12-15,17-18,27H2,1-6H3,(H,28,31)/t20-,22+,23+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Nagasaki International University

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin D


Bioorg Med Chem Lett 19: 4863-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM50298191
PNG
(CHEMBL557063 | N-((2S,3S,5R)-2-amino-6-(butylamino...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)C(=O)c1ccc(OC)c(OCCCOC)c1
Show InChI InChI=1S/C26H45N3O6/c1-7-8-12-28-25(31)19(4)15-22(30)21(27)17-29(18(2)3)26(32)20-10-11-23(34-6)24(16-20)35-14-9-13-33-5/h10-11,16,18-19,21-22,30H,7-9,12-15,17,27H2,1-6H3,(H,28,31)/t19-,21+,22+/m1/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Nagasaki International University

Curated by ChEMBL


Assay Description
Inhibition of rat renin


Bioorg Med Chem Lett 19: 4863-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM50298197
PNG
(CHEMBL550066 | N-((2S,3S,5R)-2-amino-6-(butylamino...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)C(=O)c1ccc(CC)c(OCCCOC)c1
Show InChI InChI=1S/C27H47N3O5/c1-7-9-13-29-26(32)20(5)16-24(31)23(28)18-30(19(3)4)27(33)22-12-11-21(8-2)25(17-22)35-15-10-14-34-6/h11-12,17,19-20,23-24,31H,7-10,13-16,18,28H2,1-6H3,(H,29,32)/t20-,23+,24+/m1/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Nagasaki International University

Curated by ChEMBL


Assay Description
Inhibition of rat renin


Bioorg Med Chem Lett 19: 4863-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM50298198
PNG
(CHEMBL550673 | N-((2S,3S,5R)-2-amino-6-(butylamino...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)C(=O)c1ccc(Br)c(OCCCOC)c1
Show InChI InChI=1S/C25H42BrN3O5/c1-6-7-11-28-24(31)18(4)14-22(30)21(27)16-29(17(2)3)25(32)19-9-10-20(26)23(15-19)34-13-8-12-33-5/h9-10,15,17-18,21-22,30H,6-8,11-14,16,27H2,1-5H3,(H,28,31)/t18-,21+,22+/m1/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Nagasaki International University

Curated by ChEMBL


Assay Description
Inhibition of rat renin


Bioorg Med Chem Lett 19: 4863-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM50298203
PNG
((2R,4S,5S)-5-amino-N-butyl-4-hydroxy-6-(isopropyl(...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(Cc1ccc(OC)c(OCCCOC)c1)C(C)C
Show InChI InChI=1S/C26H47N3O5/c1-7-8-12-28-26(31)20(4)15-23(30)22(27)18-29(19(2)3)17-21-10-11-24(33-6)25(16-21)34-14-9-13-32-5/h10-11,16,19-20,22-23,30H,7-9,12-15,17-18,27H2,1-6H3,(H,28,31)/t20-,22+,23+/m1/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Nagasaki International University

Curated by ChEMBL


Assay Description
Inhibition of rat renin


Bioorg Med Chem Lett 19: 4863-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50330342
PNG
(CHEMBL1276497 | CP-305202 | N-((2S,3R,4S)-1-cycloh...)
Show SMILES COc1cccc(OCCCc2cccnc2)c1C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C30H44N2O5/c1-21(2)18-25(33)29(34)24(19-22-10-5-4-6-11-22)32-30(35)28-26(36-3)14-7-15-27(28)37-17-9-13-23-12-8-16-31-20-23/h7-8,12,14-16,20-22,24-25,29,33-34H,4-6,9-11,13,17-19H2,1-3H3,(H,32,35)/t24-,25-,29+/m0/s1
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n/an/a 39n/an/an/an/an/an/a



Novartis Pharmaceuticals Corp

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin in buffer


J Med Chem 53: 7490-520 (2010)


Article DOI: 10.1021/jm901885s
BindingDB Entry DOI: 10.7270/Q2S75GKG
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (human))
BDBM50330360
PNG
(CHEMBL1276272 | N-((2S,4S,5S,7S)-7-(2-(1-acetylpip...)
Show SMILES COCCCCOc1ccccc1C(=O)NC[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCC1CCN(CC1)C(C)=O)C(C)C
Show InChI InChI=1S/C35H60N4O6/c1-24(2)28(23-38-34(42)29-11-7-8-12-33(29)45-20-10-9-19-44-6)21-31(36)32(41)22-30(25(3)4)35(43)37-16-13-27-14-17-39(18-15-27)26(5)40/h7-8,11-12,24-25,27-28,30-32,41H,9-10,13-23,36H2,1-6H3,(H,37,43)(H,38,42)/t28-,30+,31+,32+/m1/s1
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n/an/a 0.300n/an/an/an/an/an/a



Novartis Pharmaceuticals Corp

Curated by ChEMBL


Assay Description
Inhibition of renin in plasma


J Med Chem 53: 7490-520 (2010)


Article DOI: 10.1021/jm901885s
BindingDB Entry DOI: 10.7270/Q2S75GKG
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (human))
BDBM50345193
PNG
(CHEMBL1783186 | N-(4-amino-8-(butylamino)-5-hydrox...)
Show SMILES CCCCNC(=O)C(C)CC(O)C(N)CC(CNC(=O)c1cccc(OCCCOC)c1)C(C)C
Show InChI InChI=1S/C27H47N3O5/c1-6-7-12-29-26(32)20(4)15-25(31)24(28)17-22(19(2)3)18-30-27(33)21-10-8-11-23(16-21)35-14-9-13-34-5/h8,10-11,16,19-20,22,24-25,31H,6-7,9,12-15,17-18,28H2,1-5H3,(H,29,32)(H,30,33)
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n/an/a 0.900n/an/an/an/an/an/a



Gyeongsang National University (GNU)

Curated by ChEMBL


Assay Description
Inhibition of human renin


Eur J Med Chem 46: 2469-76 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.035
BindingDB Entry DOI: 10.7270/Q2GM87NM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (human))
BDBM50348992
PNG
(CHEMBL1808236)
Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)CNC(=O)c2ccccc2)C(C)C)ccc1OC
Show InChI InChI=1S/C37H59N3O6/c1-25(2)29(19-27-15-16-33(45-8)34(20-27)46-18-12-17-44-7)21-31(38)32(41)22-30(26(3)4)36(43)40-24-37(5,6)23-39-35(42)28-13-10-9-11-14-28/h9-11,13-16,20,25-26,29-32,41H,12,17-19,21-24,38H2,1-8H3,(H,39,42)(H,40,43)/t29-,30-,31-,32-/m0/s1
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n/an/a 1.02n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of renin measured every 30 secs for 15 mins by fluorimetric analysis


Bioorg Med Chem 19: 4238-49 (2011)


Article DOI: 10.1016/j.bmc.2011.05.059
BindingDB Entry DOI: 10.7270/Q2HH6KD4
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (human))
BDBM17948
PNG
((2R,4S,5S,7S)-5-amino-N-butyl-4-hydroxy-7-({[2-(3-...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](CNC(=O)c1ccccc1OCCCOC)C(C)C
Show InChI InChI=1S/C27H47N3O5/c1-6-7-13-29-26(32)20(4)16-24(31)23(28)17-21(19(2)3)18-30-27(33)22-11-8-9-12-25(22)35-15-10-14-34-5/h8-9,11-12,19-21,23-24,31H,6-7,10,13-18,28H2,1-5H3,(H,29,32)(H,30,33)/t20-,21-,23+,24+/m1/s1
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n/an/a 0.900n/an/an/an/a7.237



Novartis Pharmaceuticals



Assay Description
In vitro potencies of compounds against purified human recombinant renin were determined by its cleavage of substrate angiotensinogen. The angiotensi...


Chem Biol 7: 493-504 (2000)


Article DOI: 10.1016/S1074-5521(00)00134-4
BindingDB Entry DOI: 10.7270/Q2V40SGJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)